2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

C17H14F3N3O2S — CID 26541420

IUPAC2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H14F3N3O2S/c1-22(26(24,25)15-8-7-14(18)16(19)17(15)20)10-12-9-21-23(11-12)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyHBCSCJIKFSQNKU-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.11
Rot. Bonds5

About 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 26541420) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID26541420
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H14F3N3O2S/c1-22(26(24,25)15-8-7-14(18)16(19)17(15)20)10-12-9-21-23(11-12)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyHBCSCJIKFSQNKU-UHFFFAOYSA-N
XLogP3.11
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
2,3,4-trifluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 31841722
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
CID 71847517
N,2,3-trimethyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495371
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 25468393
6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide
CID 39019816
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
CID 20937294
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899
N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283150
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 18135903

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (CID 26541420) is 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is HBCSCJIKFSQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-22(26(24,25)15-8-7-14(18)16(19)17(15)20)10-12-9-21-23(11-12)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 26541420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).